SCHEMBL2335637

SCHEMBL2335637

C[C@@H]1CCC[C@H](C)N1c1nc2c(c(-c3ccc(OC(F)(F)F)cc3)n1)CCNCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.48
HTR2A P28223 15/20 0.48
HTR2B P41595 15/20 0.48
WNT3A P56704 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PHKG2 P15735 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MARK3 P27448 1/20 0.36
PRKCI P41743 1/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PRKCD Q05655 1/20 0.36
MAP4K2 Q12851 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2337797 0.88 HTR2A (0.63) HTR2CHTR2AHTR2B
SCHEMBL2336954 0.84 HTR2A (0.61) HTR2CHTR2AHTR2B
SCHEMBL2342835 0.83 HTR2A (0.59) HTR2CHTR2AHTR2B
SCHEMBL2338891 0.81 HTR2A (0.49) HTR2CHTR2AHTR2B
SCHEMBL2337432 0.81 HTR2A (0.46) HTR2CHTR2AHTR2B
SCHEMBL2342560 0.79 HTR2A (0.44) HTR2CHTR2AHTR2BKDM1A
SCHEMBL2339021 0.78 HTR2A (0.45) HTR2CHTR2AHTR2BKDM1A
SCHEMBL2344862 0.78 HTR2A (0.45) HTR2CHTR2AHTR2B
SCHEMBL2344001 0.78 HTR2A (0.46) HTR2CHTR2AHTR2BKDM1A
SCHEMBL2342575 0.78 HTR2A (0.43) HTR2CHTR2AHTR2BKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A HTR2C 6/4885HTR2A 1/4885HTR2B 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.